2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione

C12H16N4S — CID 106481284

IUPAC2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(-c2nccn2C)[nH]1
InChIInChI=1S/C12H16N4S/c1-8(2)6-9-7-10(17)15-11(14-9)12-13-4-5-16(12)3/h4-5,7-8H,6H2,1-3H3,(H,14,15,17)
InChIKeyVDUDIIVVKOMBFK-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.74
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione

2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481284) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481284
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(-c2nccn2C)[nH]1
InChIInChI=1S/C12H16N4S/c1-8(2)6-9-7-10(17)15-11(14-9)12-13-4-5-16(12)3/h4-5,7-8H,6H2,1-3H3,(H,14,15,17)
InChIKeyVDUDIIVVKOMBFK-UHFFFAOYSA-N
XLogP2.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 136700027
6-(2-methylpropyl)-2-(5-methylpyrimidin-2-yl)-1H-pyrimidine-4-thione
CID 106481311
6-(2-methylpropyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106481332
6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione
CID 106481392
2-[2-(dimethylamino)ethyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481393
6-ethyl-2-(4-methyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106476250
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481376
6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione
CID 106481422
2-(cyclopentylsulfanylmethyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481280
6-(2-methylpropyl)-2-(2-phenylethyl)-1H-pyrimidine-4-thione
CID 106481341
6-(methoxymethyl)-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
CID 106477617

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481284) is 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(-c2nccn2C)[nH]1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is VDUDIIVVKOMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8(2)6-9-7-10(17)15-11(14-9)12-13-4-5-16(12)3/h4-5,7-8H,6H2,1-3H3,(H,14,15,17).
What are the key properties of 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 248.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).